(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide

C12H22N2O2 — CID 120796188

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide
SMILESCCCC1CC1NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C12H22N2O2/c1-2-3-8-6-10(8)14-12(15)11-5-4-9(7-13)16-11/h8-11H,2-7,13H2,1H3,(H,14,15)/t8?,9-,10?,11+/m1/s1
InChIKeyMPRYQXJBYLWKQM-DJRKXVOMSA-N
MW226.32 g/mol
LogP0.80
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide (PubChem CID 120796188) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide
PubChem CID120796188
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide
SMILESCCCC1CC1NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C12H22N2O2/c1-2-3-8-6-10(8)14-12(15)11-5-4-9(7-13)16-11/h8-11H,2-7,13H2,1H3,(H,14,15)/t8?,9-,10?,11+/m1/s1
InChIKeyMPRYQXJBYLWKQM-DJRKXVOMSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 107221914
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylcyclopropyl)oxolane-2-carboxamide
CID 120794960
(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120789873
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120794013
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
CID 114107782
2-amino-N-(2-propylcyclopropyl)cycloheptane-1-carboxamide
CID 113267243
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid
CID 107564932
2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide (CID 120796188) is (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide is CCCC1CC1NC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide?
The InChIKey is MPRYQXJBYLWKQM-DJRKXVOMSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-8-6-10(8)14-12(15)11-5-4-9(7-13)16-11/h8-11H,2-7,13H2,1H3,(H,14,15)/t8?,9-,10?,11+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide is sourced from PubChem (CID 120796188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).